Molecule

ID:110449

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-7(2)8(10)11-6-5-9(3)4/h1,5-6H2,2-4H3
InChIKey
JKNCOURZONDCGV-UHFFFAOYSA-N
Canonic Smiles
CN(CCOC(=O)C(=C)C)C
Isomeric Smiles
CN(C)CCOC(=O)C(=C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.491097
LogD (pH = 7.4)
0.2704087
Log P
1.3263696
Molar Refractivity
44.4367
Polarizability
17.514141
Polar Surface Area
29.54
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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